%chk=000246298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246298

0 1
S -0.000377 4.054102 -0.005868
N -4.861778 0.669550 0.713771
N 4.867023 0.674226 -0.707161
N -6.510976 -0.967808 0.590165
N 6.515550 -0.963568 -0.579926
N -4.477918 -1.220771 -0.753723
N 4.473740 -1.222425 0.749542
N -6.240678 -2.939864 -0.853453
N 6.235825 -2.941937 0.853217
N -8.139006 -2.679293 0.531416
N 8.143145 -2.675363 -0.518104
N -4.294518 -3.091705 -2.183732
N 4.281331 -3.099254 2.170652
C -1.377265 2.976087 0.190458
C 1.378189 2.977200 -0.196666
C -3.656464 1.402122 0.488969
C 3.659923 1.405409 -0.487144
C -2.295530 3.284671 1.198628
C 2.301187 3.288425 -1.199719
C -1.587751 1.893629 -0.665501
C 1.585239 1.893202 0.658151
C -3.440462 2.504813 1.349450
C 3.447378 2.509644 -1.346469
C -2.725516 1.098508 -0.518671
C 2.724292 1.099172 0.515330
C -5.263257 -0.537833 0.147852
C 5.264944 -0.535514 -0.143899
C -6.941433 -2.177556 0.071559
C 6.942597 -2.175584 -0.063846
C -5.020747 -2.409576 -1.234368
C 5.013481 -2.413251 1.228560
H -2.124594 4.129242 1.869437
H 2.132977 4.134166 -1.869724
H -0.867570 1.659684 -1.452645
H 0.861423 1.657143 1.441309
H -4.154835 2.748484 2.132968
H 4.165381 2.755308 -2.126041
H -2.880532 0.250070 -1.192381
H 2.876615 0.249508 1.188099
H -5.521366 1.068878 1.398225
H 5.530731 1.076461 -1.385873
H -8.729821 -2.107004 1.114543
H -8.540254 -3.494170 0.093391
H 8.541609 -3.492024 -0.080858
H 8.737823 -2.100435 -1.094673
H -4.597810 -4.004142 -2.487233
H -3.359878 -2.792306 -2.413779
H 3.344807 -2.801381 2.395045
H 4.582228 -4.013441 2.471318


%chk=000246298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246298

0 1
S -0.000535 4.141923 -0.005859
N -4.857111 0.530418 0.750428
N 4.861708 0.534335 -0.745754
N -6.519427 -1.067103 0.670682
N 6.524017 -1.062993 -0.662710
N -4.691265 -1.154083 -0.945151
N 4.686947 -1.156429 0.942661
N -6.468692 -2.837662 -1.012067
N 6.464697 -2.839529 1.013450
N -8.192705 -2.701293 0.565508
N 8.197215 -2.697058 -0.554230
N -4.694179 -2.870079 -2.535217
N 4.681867 -2.877927 2.526744
C -1.418703 2.982059 0.211073
C 1.419193 2.982802 -0.217627
C -3.699603 1.312759 0.521926
C 3.702550 1.315421 -0.521090
C -2.364047 3.255372 1.227474
C 2.371019 3.260783 -1.226736
C -1.622751 1.877469 -0.648124
C 1.617944 1.874480 0.637910
C -3.497909 2.433235 1.375681
C 3.505985 2.439561 -1.371208
C -2.743543 1.037970 -0.495117
C 2.740025 1.035993 0.488495
C -5.346767 -0.599799 0.117841
C 5.348118 -0.598054 -0.114675
C -7.026126 -2.184268 0.062245
C 7.027734 -2.182144 -0.055510
C -5.306978 -2.272096 -1.464435
C 5.300296 -2.275981 1.461412
H -2.210240 4.101972 1.904538
H 2.221495 4.110247 -1.901189
H -0.896398 1.665008 -1.439709
H 0.886527 1.658151 1.423756
H -4.224625 2.656663 2.167164
H 4.237701 2.666629 -2.157039
H -2.906218 0.180225 -1.149039
H 2.898622 0.175500 1.139810
H -5.465975 0.822992 1.519713
H 5.474934 0.830099 -1.510339
H -8.636443 -2.245840 1.358237
H -8.592476 -3.529238 0.132302
H 8.594857 -3.526413 -0.121766
H 8.645067 -2.238731 -1.342976
H -5.117770 -3.696614 -2.948133
H -3.831146 -2.475058 -2.898594
H 3.816706 -2.484455 2.886719
H 5.103512 -3.705721 2.939123


